[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24ClN3O5 MolecularWeight: 397.85326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C(C)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NCCC(C)C)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H24ClN3O5/c1-11(2)8-9-20-18(26)22-15(23)10-27-17(25)12(3)21-16(24)13-4-6-14(19)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H,21,24)(H2,20,22,23,26)/t12-/m0/s1